Tetrahydro-I>>,2-dioxo-3-furandodecanoic acid | 218797-53-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Tetrahydro-I>>,2-dioxo-3-furandodecanoic acid
• 英文别名: 12-oxo-12-(2-oxooxolan-3-yl)dodecanoic acid
• CAS: 218797-53-6
• 化学式: C₁₆H₂₆O₅
• 分子量: 298.37
• InChiKey: STLQNTGJFCWCID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• PROCESSES FOR PREPARING 2-($g(v)-ALKOXYCARBONYLALKANOYL)-4-BUTANOLIDES, $g(v)-HYDROXY-($g(v)-3)-KETO FATTY ESTERS, AND DERIVATIVES THEREOF
  申请人：SODA AROMATIC COMPANY, LIMITED

  公开号：EP0970952A1

  公开（公告）日：2000-01-12

  In industrial production of ω-hydroxyaliphatic acid being an important intermediate for large cyclic lactone-based perfumes, using dicarboxylate ester which is inexpensive and readily obtainable, a method, with high yield and improved selectively, for making a 2-(ω-alkoxycarbonylalkanoyl)-4-butanolide and an alkaline metal salt thereof, an ester of ω-hydroxy-(ω-3)-ketoaliphatic acid as a novel compound and a derivative thereof, and a method for making the same are provided. Condensation reaction of γ-butyrolactone with a dicarboxylate ester represented by the general formula (1) ROOC(CH2)nCOOR wherein n is an integer of 7 to 13 and R is an alkyl group forms a condensation solution containing an alkaline metal salt of 2-(ω-alkoxycarbonylalkanoyl)-4-butanolide represented by the general formula (3): wherein n is an integer of 7 to 13, R is an alkyl group, and M is an alkaline metal; the solution is extracted with water or an aqueous alkaline solution and subjected to hydrolysis and decarboxylation to form an alkaline metal salt of ω-hydroxy-(ω-3)-ketoaliphatic acid represented by the general formula (5): wherein n is an integer of 7 to 13 and M is an alkaline metal; and the compound is selectively and effectively separated and recovered and then acidified to form an ω-hydroxy-(ω-3)-ketoaliphatic acid represented by the general formula (10): wherein n is an integer of 7 to 13.

  在工业生产中，ω-羟基脂肪酸是大型环内酯基香水的重要中间体，利用价格低廉且容易获得的二羧酸酯，一种高产率和改进选择性的方法，用于制造2-(ω-烷氧基羰基烷酰基)-4-丁内酯及其碱金属盐、提供了制造 2-(ω-烷氧基羰基烷酰基)-4-丁内酯及其碱金属盐、作为新型化合物的 ω-hydroxy-(ω-3)-ketoaliphatic acid 的酯及其衍生物的方法。 γ-丁内酯与通式(1)ROOC(CH2)nCOOR 表示的二羧酸酯（其中 n 为 7 至 13 的整数，R 为烷基）的缩合反应形成含有通式(3)表示的 2-(ω-烷氧基羰基烷酰基)-4-丁内酯的碱金属盐的缩合溶液： 其中 n 为 7 至 13 的整数，R 为烷基，M 为碱金属；该溶液用水或碱性水溶液萃取并进行水解和脱羧，以形成通式(5)代表的 ω-羟基-(ω-3)-酮脂肪族酸的碱金属盐： 其中 n 为 7 至 13 的整数，M 为碱金属；并选择性地有效分离和回收该化合物，然后酸化形成通式 (10) 所代表的ω-羟基-(ω-3)-酮脂族酸： 其中 n 为 7 至 13 的整数。
• Methods for making 2-(omega-alkoxycarbonylalkanoyl) -4-butanolide, ester of omega-hydroxy- (omega-3) - ketoaliphatic acid, and derivatives thereof
  申请人：Soda Aromatic Co., Ltd.

  公开号：US20010051734A1

  公开（公告）日：2001-12-13

  In industrial production of &ohgr;-hydroxyaliphatic acid being an important intermediate for large cyclic lactone-based perfumes, using dicarboxylate ester which is inexpensive and readily obtainable, a method, with high yield and improved selectively, for making a 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide and an alkaline metal salt thereof, an ester of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid as a novel compound and a derivative thereof, and a method for making the same are provided. Condensation reaction of &ggr;-butyrolactone with a dicarboxylate ester represented by the general formula (1) ROOC(CH 2 )nCOOR wherein n is an integer of 7 to 13 and R is an alkyl group forms a condensation solution containing an alkaline metal salt of 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide represented by the general formula (3): 1 wherein n is an integer of 7 to 13, R is an alkyl group, and M is an alkaline metal; the solution is extracted with water or an aqueous alkaline solution and subjected to hydrolysis and decarboxylation to form an alkaline metal salt of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (5): 2 wherein n is an integer of 7 to 13 and M is an alkaline metal; and the compound is selectively and effectively separated and recovered and then acidified to form an &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (10): 3 wherein n is an integer of 7 to 13.

  在工业生产中，&ohgr;-羟基脂肪酸是大型环内酯基香水的重要中间体，利用价格低廉且容易获得的二羧酸酯，一种产量高且选择性改进的方法，用于制造2-(&ohgr.-alkoxycarbonylalkanoyl)-4-丁醇内酯及其碱金属盐；-烷氧基羰基烷酰基）-4-丁内酯及其碱金属盐、作为新型化合物的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的酯及其衍生物以及制造方法。 &ggr;-丁内酯与通式(1)ROOC(CH)代表的二羧酸酯的缩合反应 2 )nCOOR，其中 n 为 7 至 13 的整数，R 为烷基，形成含有通式 (3) 所代表的 2-(&ohgr;-烷氧羰基烷酰基)-4-丁内酯的碱金属盐的缩合溶液： 1 其中 n 为 7 至 13 的整数，R 为烷基，M 为碱金属；该溶液用水或碱性水溶液萃取，经水解和脱羧生成通式 (5) 所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的碱金属盐： 2 其中 n 为 7 至 13 的整数，M 为碱金属；选择性地有效分离和回收该化合物，然后酸化形成通式（10）所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸： 3 其中 n 为 7 至 13 的整数。
• Methods for making 2-(omega-alkoxycarbonylalkanoyl) -4-butanolide, ester of omega-hydroxy - ( omega-3 ) -ketoaliphatic acid, and derivatives thereof
  申请人：Soda Aromatic Co., Ltd.

  公开号：US20020068832A1

  公开（公告）日：2002-06-06

  In industrial production of &ohgr;-hydroxyaliphatic acid being an important intermediate for large cyclic lactone-based perfumes, using dicarboxylate ester which is inexpensive and readily obtainable, a method, with high yield and improved selectively, for making a 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide and an alkaline metal salt thereof, an ester of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid as a novel compound and a derivative thereof, and a method for making the same are provided. Condensation reaction of &ggr;-butyrolactone with a dicarboxylate ester represented by the general formula (1) ROOC(CH 2 )nCOOR wherein n is an integer of 7 to 13 and R is an alkyl group forms a condensation solution containing an alkaline metal salt of 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide represented by the general formula (3): 1 wherein n is an integer of 7 to 13, R is an alkyl group, and M is an alkaline metal; the solution is extracted with water or an aqueous alkaline solution and subjected to hydrolysis and decarboxylation to form an alkaline metal salt of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (5): 2 wherein n is an integer of 7 to 13 and M is an alkaline metal; and the compound is selectively and effectively separated and recovered and then acidified to form an &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (10): 3 wherein n is an integer of 7 to 13.

  在工业生产中，&ohgr;-羟基脂肪酸是大型环内酯基香水的重要中间体，利用价格低廉且容易获得的二羧酸酯，一种产量高且选择性改进的方法，用于制造2-(&ohgr.-alkoxycarbonylalkanoyl)-4-丁醇内酯及其碱金属盐；-烷氧基羰基烷酰基）-4-丁内酯及其碱金属盐、作为新型化合物的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的酯及其衍生物以及制造方法。 &ggr;-丁内酯与通式(1)ROOC(CH)代表的二羧酸酯的缩合反应 2 )nCOOR，其中 n 为 7 至 13 的整数，R 为烷基，形成含有通式 (3) 所代表的 2-(&ohgr;-烷氧羰基烷酰基)-4-丁内酯的碱金属盐的缩合溶液： 1 其中 n 为 7 至 13 的整数，R 为烷基，M 为碱金属；该溶液用水或碱性水溶液萃取，经水解和脱羧生成通式 (5) 所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的碱金属盐： 2 其中 n 为 7 至 13 的整数，M 为碱金属；选择性地有效分离和回收该化合物，然后酸化形成通式（10）所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸： 3 其中 n 为 7 至 13 的整数。
• Methods for making 2-(omega-alkoxycarbonylalkanoyl) -4-butanolide, ester of omega-Hydroxy-(omega-3) -ketoaliphatic acid, and derivatives thereof
  申请人：Soda Aromatic Co., Ltd.

  公开号：US20020133028A1

  公开（公告）日：2002-09-19

  In industrial production of &ohgr;-hydroxyaliphatic acid being an important intermediate for large cyclic lactone-based perfumes, using dicarboxylate ester which is inexpensive and readily obtainable, a method, with high yield and improved selectively, for making a 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide and an alkaline metal salt thereof, an ester of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid as a novel compound and a derivative thereof, and a method for making the same are provided. Condensation reaction of &ggr;-butyrolactone with a dicarboxylate ester represented by the general formula (1). ROOC(CH 2 )nCOOR wherein n is an integer of 7 to 13 and R is an alkyl group forms a condensation solution containing an alkaline metal salt of 2-(&ohgr;-alkoxycarbonylalkanoyl)-4-butanolide represented by the general formula (3): 1 wherein n is an integer of 7 to 13, R is an alkyl group, and M is an alkaline metal; the solution is extracted with water or an aqueous alkaline solution and subjected to hydrolysis and decarboxylation to form an alkaline metal salt of &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (5): 2 wherein n is an integer of 7 to 13 and M is an alkaline metal; and the compound is selectively and effectively separated and recovered and then acidified to form an &ohgr;-hydroxy-(&ohgr;-3)-ketoaliphatic acid represented by the general formula (10): 3 wherein n is an integer of 7 to 13.

  在工业生产中，&ohgr;-羟基脂肪酸是大型环内酯基香水的重要中间体，利用价格低廉且容易获得的二羧酸酯，一种产量高且选择性改进的方法，用于制造2-(&ohgr.-alkoxycarbonylalkanoyl)-4-丁醇内酯及其碱金属盐；-烷氧基羰基烷酰基）-4-丁内酯及其碱金属盐、作为新型化合物的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的酯及其衍生物以及制造方法。 &ggr;-丁内酯与通式(1)代表的二羧酸酯的缩合反应。ROOC(CH 2 )nCOOR，其中 n 为 7 至 13 的整数，R 为烷基，形成含有通式(3)代表的 2-(&ohgr;-烷氧羰基烷酰基)-4-丁内酯的碱金属盐的缩合溶液： 1 其中 n 为 7 至 13 的整数，R 为烷基，M 为碱金属；该溶液用水或碱性水溶液萃取，经水解和脱羧生成通式 (5) 所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸的碱金属盐： 2 其中 n 为 7 至 13 的整数，M 为碱金属；选择性地有效分离和回收该化合物，然后酸化形成通式（10）所代表的&ohgr;-羟基-(&ohgr;-3)-酮脂族酸： 3 其中 n 为 7 至 13 的整数。
• PROCESSES FOR PREPARING 2-OMEGA-ALKOXYCARBONYLALKANOYL)-4-BUTANOLIDES, OMEGA-HYDROXY-OMEGA-3)-KETO FATTY ESTERS, AND DERIVATIVES THEREOF
  申请人：SODA AROMATIC COMPANY, LIMITED

  公开号：EP0970952B1

  公开（公告）日：2006-08-09